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DocumentationIdentifier: MM393752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393752 |
| SMILES |
CC(O)C(CF)CC=CF
|
| InChIKey |
XPHZLXHNUJREBX-UHFFFAOYSA-N
|
| MW [Da] |
150.17
Automatically obtained from RDkit software. |
| LogP |
1.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179637
Similarity: 0.8
Similarity to MM179637
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393750
Similarity: 0.7218
Similarity to MM393750
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8384 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306679
Similarity: 0.6691
Similarity to MM306679
| Tanimoto metric | 0.6691 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.8017 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+425 more
